N-Octadecanoylsphingosylphosphorylcholine
TL;DR: N-Octadecanoylsphingosylphosphorylcholine (CAS 58909-84-5) is a chemical compound with molecular formula C41H83N2O6P and molecular weight 730.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: N-stearoylsphingomyelin, 2,3-Sppc, N-STEAROYL-D-SPHINGOMYELIN, N-Octadecanoylsphingosylphosphorylcholine, [3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C41H83N2O6P |
|---|---|
| Molecular Weight | 730.60 g/mol |
| LogP | 13.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 38 |
| Exact Mass | 730.5989 |
| Heavy Atoms | 50 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 58909-84-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O |
| InChIKey | LKQLRGMMMAHREN-UHFFFAOYSA-N |
Product Overview
N-Octadecanoylsphingosylphosphorylcholine (CAS 58909-84-5), with molecular formula C41H83N2O6P and molecular weight 730.60 g/mol. IUPAC: [3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of N-Octadecanoylsphingosylphosphorylcholine
Property Insights of N-Octadecanoylsphingosylphosphorylcholine
The XLogP value of 13.4 indicates that N-Octadecanoylsphingosylphosphorylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Octadecanoylsphingosylphosphorylcholine. Following Lipinski's Rule of Five, N-Octadecanoylsphingosylphosphorylcholine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Octadecanoylsphingosylphosphorylcholine?
The CAS number of N-Octadecanoylsphingosylphosphorylcholine is 58909-84-5.
What is the molecular formula of N-Octadecanoylsphingosylphosphorylcholine?
The molecular formula of N-Octadecanoylsphingosylphosphorylcholine is C41H83N2O6P.
What is the molecular weight of N-Octadecanoylsphingosylphosphorylcholine?
The molecular weight of N-Octadecanoylsphingosylphosphorylcholine is 730.60 g/mol.
Where can I buy N-Octadecanoylsphingosylphosphorylcholine?
You can request a quote for N-Octadecanoylsphingosylphosphorylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octadecanoylsphingosylphosphorylcholine?
Yes, KEHONG BIO provides custom synthesis services for N-Octadecanoylsphingosylphosphorylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.